5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline

C12H12ClN3O — CID 43518893

IUPAC5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline
SMILESCc1cc(C)nc(Oc2ccc(Cl)cc2N)n1
InChIInChI=1S/C12H12ClN3O/c1-7-5-8(2)16-12(15-7)17-11-4-3-9(13)6-10(11)14/h3-6H,14H2,1-2H3
InChIKeyBZPMIIDROMCHSF-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.12
Rot. Bonds2

About 5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline

5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline (PubChem CID 43518893) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline.

Molecular Properties

Compound Name5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline
PubChem CID43518893
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline
SMILESCc1cc(C)nc(Oc2ccc(Cl)cc2N)n1
InChIInChI=1S/C12H12ClN3O/c1-7-5-8(2)16-12(15-7)17-11-4-3-9(13)6-10(11)14/h3-6H,14H2,1-2H3
InChIKeyBZPMIIDROMCHSF-UHFFFAOYSA-N
XLogP3.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-[(6-methoxy-2-pyridinyl)oxy]aniline
CID 63591487
5-chloro-2-[(6-methyl-3-pyridinyl)oxy]aniline
CID 62073920
5-chloro-2-(3-methylpyrazin-2-yl)oxyaniline
CID 83064435
4-chloro-2-(4-methylpyrimidin-2-yl)oxyaniline
CID 62960541
2-(5-bromo-4-methoxypyrimidin-2-yl)oxy-5-chloroaniline
CID 106997967
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
5-chloro-2-(trideuteriomethoxy)aniline
CID 87073671
2-(3-chlorophenoxy)-4,6-dimethylpyrimidine
CID 171984782
4-(2-amino-4-chlorophenoxy)-N,N-dimethylpyrimidin-2-amine
CID 64830084
5-chloro-2-quinolin-3-yloxyaniline
CID 107386897
2-(2-fluorophenoxy)-4,6-dimethylpyrimidine
CID 671376
2-(2-bromo-4-chlorophenoxy)-5-methylaniline
CID 43349571

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline?
The IUPAC name of 5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline (CID 43518893) is 5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline.
What is the SMILES notation for 5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline?
The canonical SMILES for 5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline is Cc1cc(C)nc(Oc2ccc(Cl)cc2N)n1.
What is the InChIKey of 5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline?
The InChIKey is BZPMIIDROMCHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-7-5-8(2)16-12(15-7)17-11-4-3-9(13)6-10(11)14/h3-6H,14H2,1-2H3.
What are the key properties of 5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline?
5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline has a molecular weight of 249.70 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4,6-dimethylpyrimidin-2-yl)oxyaniline is sourced from PubChem (CID 43518893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).